1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide

C17H18N2O3 — CID 169335732

IUPAC1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2-c2ccc(C=O)o2)CC1
InChIInChI=1S/C17H18N2O3/c18-17(21)12-7-9-19(10-8-12)15-4-2-1-3-14(15)16-6-5-13(11-20)22-16/h1-6,11-12H,7-10H2,(H2,18,21)
InChIKeyZTXFQGZKCCEPPD-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.46
Rot. Bonds4

About 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide

1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 169335732) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID169335732
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2-c2ccc(C=O)o2)CC1
InChIInChI=1S/C17H18N2O3/c18-17(21)12-7-9-19(10-8-12)15-4-2-1-3-14(15)16-6-5-13(11-20)22-16/h1-6,11-12H,7-10H2,(H2,18,21)
InChIKeyZTXFQGZKCCEPPD-UHFFFAOYSA-N
XLogP2.46
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide (CID 169335732) is 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccccc2-c2ccc(C=O)o2)CC1.
What is the InChIKey of 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZTXFQGZKCCEPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-17(21)12-7-9-19(10-8-12)15-4-2-1-3-14(15)16-6-5-13(11-20)22-16/h1-6,11-12H,7-10H2,(H2,18,21).
What are the key properties of 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide?
1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 169335732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).